ChemSpider 2D Image | (9cis,9'cis,13cis)-5,5',6,6'-Tetrahydro-5,6:5',6'-diepoxy-beta,beta-carotene-3,3'-diol | C40H56O4

(9cis,9'cis,13cis)-5,5',6,6'-Tetrahydro-5,6:5',6'-diepoxy-β,β-carotene-3,3'-diol

  • Molecular FormulaC40H56O4
  • Average mass600.870 Da
  • Monoisotopic mass600.417847 Da
  • ChemSpider ID24785358

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(9cis,9'cis,13cis)-5,5',6,6'-Tetrahydro-5,6:5',6'-diepoxy-β,β-carotene-3,3'-diol [ACD/IUPAC Name]
(9cis,9'cis,13cis)-5,5',6,6'-Tétrahydro-5,6:5',6'-diépoxy-β,β-carotène-3,3'-diol [French] [ACD/IUPAC Name]
(9cis,9'cis,13cis)-5,5',6,6'-Tetrahydro-5,6:5',6'-diepoxy-β,β-carotin-3,3'-diol [German] [ACD/IUPAC Name]
β,β-Carotene-3,3'-diol, 5,6:5',6'-diepoxy-5,5',6,6'-tetrahydro-, (9cis,9'cis,13cis)- [ACD/Index Name]
5,6,5',6'-diepoxy-5,6,5',6'-tetrahydro-&β;,&β;-carotene-3,3'-diol
Violaxanthin [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 705.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.0±6.0 kJ/mol
Flash Point: 380.7±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 188.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.74
ACD/LogD (pH 5.5): 8.04
ACD/BCF (pH 5.5): 761671.56
ACD/KOC (pH 5.5): 564597.63
ACD/LogD (pH 7.4): 8.04
ACD/BCF (pH 7.4): 761671.56
ACD/KOC (pH 7.4): 564597.63
Polar Surface Area: 66 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 544.2±3.0 cm3

Click to predict properties on the Chemicalize site


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